CID 55206820

Octahydrocyclopenta[b]thiomorpholine

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CC2C(C1)SCCN2
InChI
InChI=1S/C7H13NS/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2
InChIKey
IJJUBIFQLYZYPO-UHFFFAOYSA-N
Compound name
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.07687 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 129.2
[M+Na]+ 166.06609 135.0
[M-H]- 142.06959 130.1
[M+NH4]+ 161.11069 151.9
[M+K]+ 182.04003 132.5
[M+H-H2O]+ 126.07413 124.0
[M+HCOO]- 188.07507 141.5
[M+CH3COO]- 202.09072 141.2
[M+Na-2H]- 164.05154 131.4
[M]+ 143.07632 123.5
[M]- 143.07742 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe